Cas no 26091-78-1 (Byakangelicin)

Byakangelicin structure
Byakangelicin structure
Product Name:Byakangelicin
CAS No:26091-78-1
MF:C17H18O7
MW:334.320625782013
CID:5578994
PubChem ID:10211
Update Time:2023-08-07

Byakangelicin Chemical and Physical Properties

Names and Identifiers

    • CHEBI:3250
    • PKRPFNXROFUNDE-LLVKDONJSA-N
    • DTXSID70197456
    • AKOS032949081
    • 7H-Furo[3,2-g][1]benzopyran-7-one,9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxy-
    • (+)-Byakangelicin
    • 482-25-7
    • 9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one
    • UNII-LE80Z850I1
    • HMS2194N09
    • Byakangelicine
    • SMR000156212
    • 26091-78-1
    • LS-70708
    • Q-100528
    • Q3639306
    • CHEMBL508648
    • Biacangelicin, analytical standard
    • NCGC00247536-01
    • Bjacangelicin
    • 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-, (R)-
    • C17H18O7
    • Byakangelicin
    • 9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
    • 7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 9-((2R)-2,3-DIHYDROXY-3-METHYLBUTOXY)-4-METHOXY-
    • FT-0689305
    • Byankagelicine
    • 9-[(2R)-2,3-dihydroxy-3-methyl-butoxy]-4-methoxy-furo[3,2-g]chromen-7-one
    • C09141
    • BDBM50361390
    • Byak-angelicin
    • MLS000574875
    • AC-33998
    • Byacangelicin
    • BYAKANGELICIN, (+)-
    • HY-N6022
    • BS-17100
    • (R)-9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one
    • 5-METHOXY-8-(2,3-DIHYDROXY-3-METHYLBUTOXY)PSORALENE
    • (R)-9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo[3,2-g]chromen-7-one
    • 9-((2R)-2,3-DIHYDROXY-3-METHYLBUTOXY)-4-METHOXY-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE
    • A14670
    • LE80Z850I1
    • Bjakangelicin
    • Biacangelicin
    • CS-0032189
    • Inchi: 1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3/t11-/m1/s1
    • InChI Key: PKRPFNXROFUNDE-LLVKDONJSA-N
    • SMILES: O(C1C2=C(C=CC(=O)O2)C(=C2C=COC=12)OC)C[C@H](C(C)(C)O)O

Computed Properties

  • Exact Mass: 334.10525291g/mol
  • Monoisotopic Mass: 334.10525291g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 5
  • Complexity: 503
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 98.4?2
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